6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one

C13H14F3NO2 — CID 166442421

IUPAC6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
SMILESCOc1ccc2c(c1)N(C)C(=O)C2(C)CC(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-12(7-13(14,15)16)9-5-4-8(19-3)6-10(9)17(2)11(12)18/h4-6H,7H2,1-3H3
InChIKeyWPWYZBUNSBZBDQ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.88
Rot. Bonds2

About 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one

6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one (PubChem CID 166442421) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one.

Molecular Properties

Compound Name6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
PubChem CID166442421
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
SMILESCOc1ccc2c(c1)N(C)C(=O)C2(C)CC(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-12(7-13(14,15)16)9-5-4-8(19-3)6-10(9)17(2)11(12)18/h4-6H,7H2,1-3H3
InChIKeyWPWYZBUNSBZBDQ-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile
CID 605506
4-Methoxy-2-indolinone
CID 596001
1''-cyclooctylmethyl-1-cyclopropylmethyl-6-methoxyspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982528
1''-cyclooctylmethyl-1-ethyl-6-methoxyspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15983067
1''-cyclooctylmethyl-1-(4-methoxybenzyl)spiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 44404653
1''-cyclooctylmethyl-6-methoxy-1-methylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 44404684
(3E)-6-methoxy-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 44582275
(E)-3-(2-oxopropylidene)-6-(trifluoromethoxy)indolin-2-one
CID 54584723
Methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
CID 71453641
3-(2-Aminoethyl)-5-methoxy-1,3-dimethyl-2-indolone
CID 605729
6-methoxy-1-methyl-1H-indole-2,3-dione
CID 19772337
1-(4-Methoxybenzyl)-6-(trifluoromethoxy)indoline-2,3-dione
CID 45281807

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one?
The IUPAC name of 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one (CID 166442421) is 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one.
What is the SMILES notation for 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one?
The canonical SMILES for 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one is COc1ccc2c(c1)N(C)C(=O)C2(C)CC(F)(F)F.
What is the InChIKey of 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one?
The InChIKey is WPWYZBUNSBZBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-12(7-13(14,15)16)9-5-4-8(19-3)6-10(9)17(2)11(12)18/h4-6H,7H2,1-3H3.
What are the key properties of 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one?
6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one has a molecular weight of 273.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one is sourced from PubChem (CID 166442421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).